3-[(Z)-[(4-chlorophenyl)hydrazinylidene]methyl]phenol
Formula:C13H11N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-[(Z)-[(4-chlorophenyl)hydrazinylidene]methyl]phenol is not a drug-like molecule.
| MolName | 3-[(Z)-[(4-chlorophenyl)hydrazinylidene]methyl]phenol |
| MolecularFormula | C13H11N2OCl |
| Smiles | Oc1cccc(/C=N\Nc(cc2)ccc2Cl)c1 |
| InChI | InChI=1S/C13H11ClN2O/c14-11-4-6-12(7-5-11)16-15-9-10-2-1-3-13(17)8-10/h1-9,16-17H |
| InChIK | ORJLSXKLKJNKHS-UHFFFAOYSA-N |
| TotalMolweight | 246.696 |
| Molweight | 246.696 |
| MonoisotopicMass | 246.05599 |
| CLogP | 5.1012 |
| CLogS | -3.589 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 191.01 |
| Relative PSA | 0.18884 |
| PolarSurfaceArea | 44.62 |
| Druglikeness | 2.1704 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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